O-[(4-nitrophenyl)methyl]hydroxylamine hydrochloride

• ChemBase编号: 42091
• 分子式: C7H9ClN2O3
• 平均质量: 204.61096
• 单一同位素质量: 204.03016984
• SMILES: c1c(ccc(c1)CON)[N+](=O)[O-].Cl
• Canonical SMILES: NOCc1ccc(cc1)[N+](=O)[O-].Cl
• InChI: InChI=1S/C7H8N2O3.ClH/c8-12-5-6-1-3-7(4-2-6)9(10)11;/h1-4H,5,8H2;1H
• InChIKey: LKCAFSOYOMFQSL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: O-[(4-nitrophenyl)methyl]hydroxylamine hydrochloride
• IUPAC传统名: O-[(4-nitrophenyl)methyl]hydroxylamine hydrochloride
• 别名: O-(4-硝基苄基)羟胺盐酸盐; 4-硝基苄基羟胺 盐酸盐; O-(4-硝基苄基)羟胺 盐酸盐; 1-[(Aminooxy)methyl]-4-nitrobenzene hydrochloride; 4-Nitrobenzyloxyamine hydrochloride; O-(4-Nitrobenzyl)hydroxylamine hydrochloride; O-[(4-nitrophenyl)methyl]hydroxylamine Hydrochloride; p-Nitrobenzyloxyamine Hydrochloride; O-(p-Nitrobenzyl)hydroxylamine Monohydrochloride; O-4-Nitrobenzylhydroxylamine Hydrochloride

登记号

• CAS号: 2086-26-2
• EC号: 218-228-6
• MDL号: MFCD00012954
• Beilstein号: 3709565
• PubChem SID: 24886522; 162046854
• PubChem CID: 74967

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.2902153
• LogD (pH = 7.4): 1.3017722
• Log P: 1.3019216
• 摩尔折射率: 43.2641 cm^3
• 极化性: 16.287184 Å^3
• 极化表面积: 78.39 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 215 °C (dec.)(lit.); 226 °C; 226°C; ca 215°C dec.

安全信息

• 保存注意事项: IRRITANT; Moisture & Light Sensitive
• RTECS编号: NC4400050
• 德国WGK号: 3
• TSCA收录: false; 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: >95%; ≥98.5% (AT); 98%
• 线性分子式: O2NC6H4CH2ONH2 · HCl

详细说明

Sigma Aldrich - 73200

Other Notes
用于制备 N-(4-硝基苄氧基)-氨基酸的试剂，N-(4-硝基苄氧基)-氨基酸可作为N-羟基肽精确合成的底物1
包装
1, 5 g in glass bottle

Toronto Research Chemicals - N495530

A strong UV chromophore used in derivatization of reducing sugars for ultraviolet absorption detection in HPLC analyses.

参考文献

• Lawson, M., et al.: Liq. Chrom. Anal. Food Bev., 2, 379 (1979)